5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride

C12H18BrClN2O2S — CID 120720902

IUPAC5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC1CCNC1.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-2-3-11(13)6-12(9)18(16,17)15-8-10-4-5-14-7-10;/h2-3,6,10,14-15H,4-5,7-8H2,1H3;1H
InChIKeySNZQNCQLINRDEA-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.07
Rot. Bonds4

About 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride

5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 120720902) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID120720902
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC1CCNC1.Cl
InChIInChI=1S/C12H17BrN2O2S.ClH/c1-9-2-3-11(13)6-12(9)18(16,17)15-8-10-4-5-14-7-10;/h2-3,6,10,14-15H,4-5,7-8H2,1H3;1H
InChIKeySNZQNCQLINRDEA-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563212
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
5-bromo-2-chloro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124698506
5-bromo-2-chloro-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968718
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208623
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
5-bromo-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207007
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119976925
5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 120721094

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride (CID 120720902) is 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride is Cc1ccc(Br)cc1S(=O)(=O)NCC1CCNC1.Cl.
What is the InChIKey of 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is SNZQNCQLINRDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c1-9-2-3-11(13)6-12(9)18(16,17)15-8-10-4-5-14-7-10;/h2-3,6,10,14-15H,4-5,7-8H2,1H3;1H.
What are the key properties of 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 369.71 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).