Chemical ID: 3999224

CN(c1ccc(cc1)O)S(=O)(=O)c2ccc3ccccc3c2
Chemical ID:
3999224
Name [?]:
N-(4-hydroxyphenyl)-N-methyl-naphthalene-2-sulfonamide
SMILES [?]:
CN(c1ccc(cc1)O)S(=O)(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C17H15NO3S/c1-18(15-7-9-16(19)10-8-15)22(20,21)17-11-6-13-4-2-3-5-14(13)12-17/h2-12,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,15,4,8,5,7,14,22,16,21,3,6,13,2,9,11,12,10/E:(7,8)(9,10)(20,21)/CRV:22.6/rA:22cCNCCCCCCOSOOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;d10;d10;s10;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.95338
Area:482.183
Solvation:-3.10119
Coulombic:-25.0418
Bond Count [?]
All:24
Single:14
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.372
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.14
LogP (Chemaxon):3.57

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Descriptor Annotations

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