4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride

C15H18Cl2N2O2S — CID 119978801

IUPAC4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)c2ccccc12.Cl
InChIInChI=1S/C15H17ClN2O2S.ClH/c1-18(11-8-9-17-10-11)21(19,20)15-7-6-14(16)12-4-2-3-5-13(12)15;/h2-7,11,17H,8-10H2,1H3;1H
InChIKeyLRBMPIRFUQGVDQ-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.90
Rot. Bonds3

About 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride

4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride (PubChem CID 119978801) has the molecular formula C15H18Cl2N2O2S and a molecular weight of 361.29 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
PubChem CID119978801
Molecular FormulaC15H18Cl2N2O2S
Molecular Weight361.29 g/mol
Exact Mass360.05
IUPAC Name4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)c2ccccc12.Cl
InChIInChI=1S/C15H17ClN2O2S.ClH/c1-18(11-8-9-17-10-11)21(19,20)15-7-6-14(16)12-4-2-3-5-13(12)15;/h2-7,11,17H,8-10H2,1H3;1H
InChIKeyLRBMPIRFUQGVDQ-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
4-bromo-2,3-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709932
5-bromo-2,4-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709937
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954
1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978998
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 119978813
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride (CID 119978801) is 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride is CN(C1CCNC1)S(=O)(=O)c1ccc(Cl)c2ccccc12.Cl.
What is the InChIKey of 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride?
The InChIKey is LRBMPIRFUQGVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S.ClH/c1-18(11-8-9-17-10-11)21(19,20)15-7-6-14(16)12-4-2-3-5-13(12)15;/h2-7,11,17H,8-10H2,1H3;1H.
What are the key properties of 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride?
4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride has a molecular weight of 361.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119978801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).