4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide

C18H22N4O3S — CID 20873893

IUPAC4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C18H22N4O3S/c1-14-3-5-16(6-4-14)26(24,25)20-15-7-8-19-17(13-15)18(23)22-11-9-21(2)10-12-22/h3-8,13H,9-12H2,1-2H3,(H,19,20)
InChIKeyNWWAPBGCOFBBDD-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.58
Rot. Bonds4

About 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide

4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide (PubChem CID 20873893) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide
PubChem CID20873893
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C18H22N4O3S/c1-14-3-5-16(6-4-14)26(24,25)20-15-7-8-19-17(13-15)18(23)22-11-9-21(2)10-12-22/h3-8,13H,9-12H2,1-2H3,(H,19,20)
InChIKeyNWWAPBGCOFBBDD-UHFFFAOYSA-N
XLogP1.58
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202285
[4-[(3-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208062
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208197
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216304
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
2-(2-chloro-5-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]propanamide
CID 75400840

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide (CID 20873893) is 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide?
The InChIKey is NWWAPBGCOFBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-14-3-5-16(6-4-14)26(24,25)20-15-7-8-19-17(13-15)18(23)22-11-9-21(2)10-12-22/h3-8,13H,9-12H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide?
4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 20873893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).