N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C16H18ClN3O2S — CID 5268142

IUPACN-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCc1cc(Cl)ccc1Nc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C16H18ClN3O2S/c1-12-10-13(17)4-6-15(12)19-16-7-5-14(11-18-16)23(21,22)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyDUPFCZGFAWKZDM-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.57
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 5268142) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID5268142
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCc1cc(Cl)ccc1Nc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C16H18ClN3O2S/c1-12-10-13(17)4-6-15(12)19-16-7-5-14(11-18-16)23(21,22)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyDUPFCZGFAWKZDM-UHFFFAOYSA-N
XLogP3.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-5-methyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]phenyl]-2-(4-chlorophenyl)acetonitrile
CID 5268135
6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267817
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268362
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133350405
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 31580125
5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine
CID 82296151
6-(2,5-dichloroanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267654

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 5268142) is N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is Cc1cc(Cl)ccc1Nc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is DUPFCZGFAWKZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-12-10-13(17)4-6-15(12)19-16-7-5-14(11-18-16)23(21,22)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 351.86 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5268142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).