3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide

C15H12ClN3O2S — CID 110672345

IUPAC3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2nccnc2c1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O2S/c16-12-2-1-3-13(9-12)22(20,21)19-10-11-4-5-14-15(8-11)18-7-6-17-14/h1-9,19H,10H2
InChIKeyDSJWTOMBSKYBSB-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.76
Rot. Bonds4

About 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide

3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide (PubChem CID 110672345) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
PubChem CID110672345
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2nccnc2c1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O2S/c16-12-2-1-3-13(9-12)22(20,21)19-10-11-4-5-14-15(8-11)18-7-6-17-14/h1-9,19H,10H2
InChIKeyDSJWTOMBSKYBSB-UHFFFAOYSA-N
XLogP2.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
CID 110785208
3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110786053
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
CID 169029479
N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(7-chloroisoquinolin-1-yl)amino]benzenesulfonamide
CID 135186657
3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786829
1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide
CID 110672337
1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
CID 110672324
3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 156599916
3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 56805967

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide (CID 110672345) is 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccc2nccnc2c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide?
The InChIKey is DSJWTOMBSKYBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c16-12-2-1-3-13(9-12)22(20,21)19-10-11-4-5-14-15(8-11)18-7-6-17-14/h1-9,19H,10H2.
What are the key properties of 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide?
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide has a molecular weight of 333.80 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110672345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).