N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide

C18H22N4O3S — CID 120763731

IUPACN,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-21(2)18(23)14-5-7-16(8-6-14)26(24,25)22-11-10-20-13-17(22)15-4-3-9-19-12-15/h3-9,12,17,20H,10-11,13H2,1-2H3
InChIKeyFVXOUJPILCXDKR-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.12
Rot. Bonds4

About N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide

N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 120763731) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
PubChem CID120763731
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-21(2)18(23)14-5-7-16(8-6-14)26(24,25)22-11-10-20-13-17(22)15-4-3-9-19-12-15/h3-9,12,17,20H,10-11,13H2,1-2H3
InChIKeyFVXOUJPILCXDKR-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 120763620
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
methyl 2-fluoro-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 120764245
2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 120764062
1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120876698

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide (CID 120763731) is N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide is CN(C)C(=O)c1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is FVXOUJPILCXDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-21(2)18(23)14-5-7-16(8-6-14)26(24,25)22-11-10-20-13-17(22)15-4-3-9-19-12-15/h3-9,12,17,20H,10-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide?
N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 374.47 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 120763731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).