3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

C12H17Cl3N2O2S — CID 120723468

IUPAC3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC[C@H]1CCCN1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2S.ClH/c13-11-4-3-10(8-12(11)14)19(17,18)16-7-5-9-2-1-6-15-9;/h3-4,8-9,15-16H,1-2,5-7H2;1H/t9-;/m1./s1
InChIKeyHKVGZTMGVZEDNO-SBSPUUFOSA-N
MW359.71 g/mol
LogP2.84
Rot. Bonds5

About 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride

3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120723468) has the molecular formula C12H17Cl3N2O2S and a molecular weight of 359.71 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID120723468
Molecular FormulaC12H17Cl3N2O2S
Molecular Weight359.71 g/mol
Exact Mass358.01
IUPAC Name3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC[C@H]1CCCN1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2S.ClH/c13-11-4-3-10(8-12(11)14)19(17,18)16-7-5-9-2-1-6-15-9;/h3-4,8-9,15-16H,1-2,5-7H2;1H/t9-;/m1./s1
InChIKeyHKVGZTMGVZEDNO-SBSPUUFOSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.71
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-cyano-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972674
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 104972659
2,5-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972576
2,6-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723410
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
2-chloro-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723457
4-nitro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 57035740
4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972468
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide
CID 104972452
3-cyano-4-fluoro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794187
3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723398

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride (CID 120723468) is 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCC[C@H]1CCCN1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is HKVGZTMGVZEDNO-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S.ClH/c13-11-4-3-10(8-12(11)14)19(17,18)16-7-5-9-2-1-6-15-9;/h3-4,8-9,15-16H,1-2,5-7H2;1H/t9-;/m1./s1.
What are the key properties of 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride?
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 359.71 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).