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Chemical ID: 4260248

Chemical ID:

4260248

Name [?]:

N,N-bis(2-hydroxyethyl)-4-methyl-benzenesulfonamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)N(CCO)CCO

InChi [?]:

InChI=1/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,4,6,12,15,13,16,2,5,11,14,17,9,10,8/E:(2,3)(4,5)(6,7)(8,9)(13,14)(15,16)/CRV:17.6/rA:17nCCCCCCCSOONCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s11;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₇NO₄S
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	6.66137
Area:	421.354
Solvation:	-3.87247
Coulombic:	-41.1387

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	259.323
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	0.13
LogP (Chemaxon):	0.75

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value