4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide

C19H18ClN3O2S — CID 112983096

IUPAC4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NCc3cccnc3)cc2)ccc1Cl
InChIInChI=1S/C19H18ClN3O2S/c1-14-11-18(8-9-19(14)20)26(24,25)23-17-6-4-16(5-7-17)22-13-15-3-2-10-21-12-15/h2-12,22-23H,13H2,1H3
InChIKeyMEIBENHZWMPHKL-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.46
Rot. Bonds6

About 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide

4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide (PubChem CID 112983096) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
PubChem CID112983096
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NCc3cccnc3)cc2)ccc1Cl
InChIInChI=1S/C19H18ClN3O2S/c1-14-11-18(8-9-19(14)20)26(24,25)23-17-6-4-16(5-7-17)22-13-15-3-2-10-21-12-15/h2-12,22-23H,13H2,1H3
InChIKeyMEIBENHZWMPHKL-UHFFFAOYSA-N
XLogP4.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983095
N-[4-(pyridin-3-ylmethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112983088
N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43454156
4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983082
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 24980410
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027726
1-[4-[(4-chloro-3-methylphenyl)methylsulfonyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 165068871
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide (CID 112983096) is 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(NCc3cccnc3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
The InChIKey is MEIBENHZWMPHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-14-11-18(8-9-19(14)20)26(24,25)23-17-6-4-16(5-7-17)22-13-15-3-2-10-21-12-15/h2-12,22-23H,13H2,1H3.
What are the key properties of 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112983096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).