2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide

C15H21ClN2O2S — CID 32681639

IUPAC2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2S/c1-11-2-5-15(14(16)10-11)21(19,20)17-12-6-8-18(9-7-12)13-3-4-13/h2,5,10,12-13,17H,3-4,6-9H2,1H3
InChIKeyBODBTRKSTRBLEP-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide

2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide (PubChem CID 32681639) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide
PubChem CID32681639
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2S/c1-11-2-5-15(14(16)10-11)21(19,20)17-12-6-8-18(9-7-12)13-3-4-13/h2,5,10,12-13,17H,3-4,6-9H2,1H3
InChIKeyBODBTRKSTRBLEP-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide (CID 32681639) is 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is BODBTRKSTRBLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-11-2-5-15(14(16)10-11)21(19,20)17-12-6-8-18(9-7-12)13-3-4-13/h2,5,10,12-13,17H,3-4,6-9H2,1H3.
What are the key properties of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide?
2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 328.87 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 32681639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).