4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C15H23ClN2O2S — CID 106609514

IUPAC4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCC(C)CN(CC1CCCN1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-12(2)10-18(11-14-4-3-9-17-14)21(19,20)15-7-5-13(16)6-8-15/h5-8,12,14,17H,3-4,9-11H2,1-2H3
InChIKeyOPFMEAHUPPQDIY-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.74
Rot. Bonds6

About 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106609514) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106609514
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCC(C)CN(CC1CCCN1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-12(2)10-18(11-14-4-3-9-17-14)21(19,20)15-7-5-13(16)6-8-15/h5-8,12,14,17H,3-4,9-11H2,1-2H3
InChIKeyOPFMEAHUPPQDIY-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609631
N-[1-(4-chlorophenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605425
N-[(4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605569
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608787
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 86310736
(2S)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 42263000
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106609514) is 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CC(C)CN(CC1CCCN1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is OPFMEAHUPPQDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-12(2)10-18(11-14-4-3-9-17-14)21(19,20)15-7-5-13(16)6-8-15/h5-8,12,14,17H,3-4,9-11H2,1-2H3.
What are the key properties of 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106609514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).