N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

C18H20ClN3O3S — CID 46771316

IUPACN-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-21-9-11-22(12-10-21)18(23)16-13-14(7-8-17(16)19)20-26(24,25)15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3
InChIKeyJHGZSAZHGGOZMF-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.53
Rot. Bonds4

About N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 46771316) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID46771316
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-21-9-11-22(12-10-21)18(23)16-13-14(7-8-17(16)19)20-26(24,25)15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3
InChIKeyJHGZSAZHGGOZMF-UHFFFAOYSA-N
XLogP2.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 118582208
N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
CID 99952888
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 99953294
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128
N-[4-chloro-3-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 92673000
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 158352401
4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
CID 99972488
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (CID 46771316) is N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is CN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1.
What is the InChIKey of N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is JHGZSAZHGGOZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-21-9-11-22(12-10-21)18(23)16-13-14(7-8-17(16)19)20-26(24,25)15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3.
What are the key properties of N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46771316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).