6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide

C20H20ClN3O2S — CID 166378294

IUPAC6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide
SMILESCc1ccccc1C(NS(=O)(=O)c1cnc(N)c(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-13-5-3-4-6-18(13)19(15-7-9-16(21)10-8-15)24-27(25,26)17-11-14(2)20(22)23-12-17/h3-12,19,24H,1-2H3,(H2,22,23)
InChIKeyRJARSTBZNIJSEC-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.00
Rot. Bonds5

About 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide

6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide (PubChem CID 166378294) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide
PubChem CID166378294
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide
SMILESCc1ccccc1C(NS(=O)(=O)c1cnc(N)c(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-13-5-3-4-6-18(13)19(15-7-9-16(21)10-8-15)24-27(25,26)17-11-14(2)20(22)23-12-17/h3-12,19,24H,1-2H3,(H2,22,23)
InChIKeyRJARSTBZNIJSEC-UHFFFAOYSA-N
XLogP4.00
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 64607227
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
6-amino-5-methyl-N-phenylpyridine-3-sulfonamide
CID 82485974
6-amino-5-chloro-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 64608701
6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide
CID 64601294
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
methyl 2-chloro-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100657490
6-amino-N-ethyl-5-methylpyridine-3-sulfonamide
CID 82471323
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
6-amino-5-methyl-N-(4-methylphenyl)pyridine-3-sulfonamide
CID 98020919
N-[4-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 94027039
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide (CID 166378294) is 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide is Cc1ccccc1C(NS(=O)(=O)c1cnc(N)c(C)c1)c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide?
The InChIKey is RJARSTBZNIJSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-13-5-3-4-6-18(13)19(15-7-9-16(21)10-8-15)24-27(25,26)17-11-14(2)20(22)23-12-17/h3-12,19,24H,1-2H3,(H2,22,23).
What are the key properties of 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide?
6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide has a molecular weight of 401.92 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide is sourced from PubChem (CID 166378294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).