4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide

C19H22ClN3O3S — CID 99972488

IUPAC4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C19H22ClN3O3S/c1-23-11-9-14(10-12-23)21-19(24)17-8-7-15(13-18(17)20)22-27(25,26)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,21,24)
InChIKeyXTHGVRSJWNDEPL-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.96
Rot. Bonds5

About 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide

4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 99972488) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID99972488
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C19H22ClN3O3S/c1-23-11-9-14(10-12-23)21-19(24)17-8-7-15(13-18(17)20)22-27(25,26)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,21,24)
InChIKeyXTHGVRSJWNDEPL-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99972490
4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide
CID 50875246
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
CID 28632123
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
4-(benzenesulfonamido)-2-chloro-N-(2-ethylphenyl)benzamide
CID 28632195
4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
CID 28564561
N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
4-(benzenesulfonamido)-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100581872
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide (CID 99972488) is 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CC1.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is XTHGVRSJWNDEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-23-11-9-14(10-12-23)21-19(24)17-8-7-15(13-18(17)20)22-27(25,26)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,21,24).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide?
4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 407.92 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 99972488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).