3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C14H22Cl2N2O2S — CID 119976554

IUPAC3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-3-8-17(12-6-7-16-10-12)20(18,19)13-5-4-11(2)14(15)9-13;/h4-5,9,12,16H,3,6-8,10H2,1-2H3;1H
InChIKeyRFBLKPHESQYWLY-UHFFFAOYSA-N
MW353.32 g/mol
LogP2.83
Rot. Bonds5

About 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119976554) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119976554
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O2S.ClH/c1-3-8-17(12-6-7-16-10-12)20(18,19)13-5-4-11(2)14(15)9-13;/h4-5,9,12,16H,3,6-8,10H2,1-2H3;1H
InChIKeyRFBLKPHESQYWLY-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976755
2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976314
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
2-methyl-1,3-dioxo-N-propyl-N-pyrrolidin-3-ylisoindole-5-sulfonamide
CID 119976743
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
3-chloro-4-(difluoromethoxy)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993709
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119976554) is 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)c1ccc(C)c(Cl)c1.Cl.
What is the InChIKey of 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is RFBLKPHESQYWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S.ClH/c1-3-8-17(12-6-7-16-10-12)20(18,19)13-5-4-11(2)14(15)9-13;/h4-5,9,12,16H,3,6-8,10H2,1-2H3;1H.
What are the key properties of 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 353.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119976554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).