4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

C15H21ClN2O2S — CID 106631237

IUPAC4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H21ClN2O2S/c16-13-3-7-15(8-4-13)21(19,20)18(14-5-6-14)11-12-2-1-9-17-10-12/h3-4,7-8,12,14,17H,1-2,5-6,9-11H2
InChIKeyAOVBYDXJNUGQFJ-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.49
Rot. Bonds5

About 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (PubChem CID 106631237) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
PubChem CID106631237
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H21ClN2O2S/c16-13-3-7-15(8-4-13)21(19,20)18(14-5-6-14)11-12-2-1-9-17-10-12/h3-4,7-8,12,14,17H,1-2,5-6,9-11H2
InChIKeyAOVBYDXJNUGQFJ-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 71302394
2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636374
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
CID 106630787
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
4-chloro-N-cyclopropyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971312

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (CID 106631237) is 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(CC1CCCNC1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The InChIKey is AOVBYDXJNUGQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-13-3-7-15(8-4-13)21(19,20)18(14-5-6-14)11-12-2-1-9-17-10-12/h3-4,7-8,12,14,17H,1-2,5-6,9-11H2.
What are the key properties of 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide has a molecular weight of 328.87 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106631237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).