5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide

C18H21ClN4O4S — CID 56684219

IUPAC5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H21ClN4O4S/c1-22-5-7-23(8-6-22)18(24)13-9-15(12-20-11-13)21-28(25,26)17-10-14(19)3-4-16(17)27-2/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyBCTIIIQRBLZERR-UHFFFAOYSA-N
MW424.91 g/mol
LogP1.93
Rot. Bonds5

About 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide

5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 56684219) has the molecular formula C18H21ClN4O4S and a molecular weight of 424.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
PubChem CID56684219
Molecular FormulaC18H21ClN4O4S
Molecular Weight424.91 g/mol
Exact Mass424.10
IUPAC Name5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H21ClN4O4S/c1-22-5-7-23(8-6-22)18(24)13-9-15(12-20-11-13)21-28(25,26)17-10-14(19)3-4-16(17)27-2/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyBCTIIIQRBLZERR-UHFFFAOYSA-N
XLogP1.93
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-((5-Chloro-2-methoxyphenyl)sulfonamido)nicotinamide
CID 89768286
6-chloro-N-{3-[(4-methoxyphenyl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 3248530
US10370333, Example XII-5
CID 56684192
5-chloro-2-methoxy-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 89768280
Methyl 5-[(5-chloro-2-methoxyphenyl)sulfonylamino]pyridine-3-carboxylate
CID 89768289
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 89768344
US10370333, Example XIII-5
CID 89768408
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-methylpyridine-3-carboxamide
CID 89768436
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-ethylpyridine-3-carboxamide
CID 89768486
US10370333, Example XII-19
CID 89775258
US11046710, Example 44
CID 146444090
2-chloro-N-[4-methoxy-2-(morpholine-4-sulfonyl)phenyl]pyridine-3-carboxamide
CID 2349249

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide (CID 56684219) is 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is BCTIIIQRBLZERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4S/c1-22-5-7-23(8-6-22)18(24)13-9-15(12-20-11-13)21-28(25,26)17-10-14(19)3-4-16(17)27-2/h3-4,9-12,21H,5-8H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 424.91 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 56684219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).