4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

C11H15BrCl2N2O2S — CID 119974161

IUPAC4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O2S.ClH/c12-8-3-4-11(10(13)6-8)18(16,17)15-7-9-2-1-5-14-9;/h3-4,6,9,14-15H,1-2,5,7H2;1H
InChIKeyCCDQADORVPCQBV-UHFFFAOYSA-N
MW390.13 g/mol
LogP2.55
Rot. Bonds4

About 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119974161) has the molecular formula C11H15BrCl2N2O2S and a molecular weight of 390.13 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119974161
Molecular FormulaC11H15BrCl2N2O2S
Molecular Weight390.13 g/mol
Exact Mass387.94
IUPAC Name4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCN1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O2S.ClH/c12-8-3-4-11(10(13)6-8)18(16,17)15-7-9-2-1-5-14-9;/h3-4,6,9,14-15H,1-2,5,7H2;1H
InChIKeyCCDQADORVPCQBV-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.13
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972468
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
4-bromo-2-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406363
methyl 3-bromo-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 119974135
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (CID 119974161) is 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CCCN1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is CCDQADORVPCQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S.ClH/c12-8-3-4-11(10(13)6-8)18(16,17)15-7-9-2-1-5-14-9;/h3-4,6,9,14-15H,1-2,5,7H2;1H.
What are the key properties of 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 390.13 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119974161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).