N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride

C18H18ClN3O4S — CID 11983308

IUPACN-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C18H17N3O4S.ClH/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13;/h2-12,21-22H,1H3,(H,19,20);1H
InChIKeyKWQWWUXRGIIBAS-UHFFFAOYSA-N
MW407.88 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride

N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride (PubChem CID 11983308) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride
PubChem CID11983308
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C18H17N3O4S.ClH/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13;/h2-12,21-22H,1H3,(H,19,20);1H
InChIKeyKWQWWUXRGIIBAS-UHFFFAOYSA-N
XLogP3.76
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 3035714
4-[[1-(4-Methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol
CID 50940066
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940068
3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 53328423
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
CID 58149816
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 3639258
N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 52944610
N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 4236121
N-ethyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 4313080
1-(4-Ethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 6465816

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride (CID 11983308) is N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1.Cl.
What is the InChIKey of N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is KWQWWUXRGIIBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S.ClH/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13;/h2-12,21-22H,1H3,(H,19,20);1H.
What are the key properties of N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride?
N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 407.88 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 11983308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).