4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C13H19ClN2O2S — CID 106607116

IUPAC4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)CC1CCCN1
InChIInChI=1S/C13H19ClN2O2S/c1-10-8-11(14)5-6-13(10)19(17,18)16(2)9-12-4-3-7-15-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyXXJXNECVNBYIRB-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.02
Rot. Bonds4

About 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106607116) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106607116
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)CC1CCCN1
InChIInChI=1S/C13H19ClN2O2S/c1-10-8-11(14)5-6-13(10)19(17,18)16(2)9-12-4-3-7-15-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3
InChIKeyXXJXNECVNBYIRB-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528
2-chloro-N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607127
N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607033
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
2,4-dimethoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106606986
3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630423
N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630272
N,4-dimethyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106606992
2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
3-chloro-4-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607226

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106607116) is 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)N(C)CC1CCCN1.
What is the InChIKey of 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is XXJXNECVNBYIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-10-8-11(14)5-6-13(10)19(17,18)16(2)9-12-4-3-7-15-12/h5-6,8,12,15H,3-4,7,9H2,1-2H3.
What are the key properties of 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106607116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).