N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide

C16H20ClN3O2S — CID 113018948

IUPACN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nc1
InChIInChI=1S/C16H20ClN3O2S/c1-3-4-9-23(21,22)20-14-7-8-16(18-11-14)19-13-6-5-12(2)15(17)10-13/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyDAHWRNGMIRCMLR-UHFFFAOYSA-N
MW353.88 g/mol
LogP4.33
Rot. Bonds7

About N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide

N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide (PubChem CID 113018948) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
PubChem CID113018948
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nc1
InChIInChI=1S/C16H20ClN3O2S/c1-3-4-9-23(21,22)20-14-7-8-16(18-11-14)19-13-6-5-12(2)15(17)10-13/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyDAHWRNGMIRCMLR-UHFFFAOYSA-N
XLogP4.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113021517
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
CID 113033646
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide (CID 113018948) is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nc1.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is DAHWRNGMIRCMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-3-4-9-23(21,22)20-14-7-8-16(18-11-14)19-13-6-5-12(2)15(17)10-13/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 353.88 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113018948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).