N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C14H23ClN2O2S — CID 119978960

IUPACN-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11(2)12-4-6-14(7-5-12)19(17,18)16(3)13-8-9-15-10-13;/h4-7,11,13,15H,8-10H2,1-3H3;1H
InChIKeySAQZZUWBKOSCQS-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119978960) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119978960
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11(2)12-4-6-14(7-5-12)19(17,18)16(3)13-8-9-15-10-13;/h4-7,11,13,15H,8-10H2,1-3H3;1H
InChIKeySAQZZUWBKOSCQS-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-methyl-4-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978600
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119978705
6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride
CID 120709882
N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119978923

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119978960) is N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is CC(C)c1ccc(S(=O)(=O)N(C)C2CCNC2)cc1.Cl.
What is the InChIKey of N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is SAQZZUWBKOSCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-11(2)12-4-6-14(7-5-12)19(17,18)16(3)13-8-9-15-10-13;/h4-7,11,13,15H,8-10H2,1-3H3;1H.
What are the key properties of N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119978960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).