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Chemical ID: 3999224
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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