ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7254356

Chemical ID:

7254356

Name [?]:

N-[2-(4-methylphenoxy)ethyl]naphthalene-2-sulfonamide

SMILES [?]:

Cc1ccc(cc1)OCCNS(=O)(=O)c2ccc3ccccc3c2

InChi [?]:

InChI=1/C19H19NO3S/c1-15-6-9-18(10-7-15)23-13-12-20-24(21,22)19-11-8-16-4-2-3-5-17(16)14-19/h2-11,14,20H,12-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,20,21,19,22,3,7,17,4,6,16,10,9,24,2,18,23,5,15,11,13,14,8,12/E:(6,7)(9,10)(21,22)/CRV:24.6/rA:24nCCCCCCCOCCNSOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;d12;s12;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉NO₃S
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4958
Area:	551.903
Solvation:	-3.30176
Coulombic:	-22.2514

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	341.425
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.3
LogP (Chemaxon):	4.01

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value