N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide

C17H20N4O3S — CID 173143971

IUPACN-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C17H20N4O3S/c1-25(23,24)19-15-5-2-6-16(12-15)20-8-10-21(11-9-20)17(22)14-4-3-7-18-13-14/h2-7,12-13,19H,8-11H2,1H3
InChIKeyKTWIAUGEGDSAMO-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.42
Rot. Bonds4

About N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide

N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide (PubChem CID 173143971) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
PubChem CID173143971
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C17H20N4O3S/c1-25(23,24)19-15-5-2-6-16(12-15)20-8-10-21(11-9-20)17(22)14-4-3-7-18-13-14/h2-7,12-13,19H,8-11H2,1H3
InChIKeyKTWIAUGEGDSAMO-UHFFFAOYSA-N
XLogP1.42
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 36818842
N-[3-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 36748465
N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55646310
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide
CID 68546178
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1H-quinolin-2-one
CID 13317106

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide (CID 173143971) is N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide?
The InChIKey is KTWIAUGEGDSAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-25(23,24)19-15-5-2-6-16(12-15)20-8-10-21(11-9-20)17(22)14-4-3-7-18-13-14/h2-7,12-13,19H,8-11H2,1H3.
What are the key properties of N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide?
N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 173143971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).