5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide

C14H16ClN3O2S2 — CID 121144890

IUPAC5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2nccs2)C1
InChIInChI=1S/C14H16ClN3O2S2/c1-10-2-3-11(15)8-13(10)22(19,20)17-12-4-6-18(9-12)14-16-5-7-21-14/h2-3,5,7-8,12,17H,4,6,9H2,1H3
InChIKeyUJTOKPCGECDCSG-UHFFFAOYSA-N
MW357.89 g/mol
LogP2.66
Rot. Bonds4

About 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide

5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 121144890) has the molecular formula C14H16ClN3O2S2 and a molecular weight of 357.89 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide
PubChem CID121144890
Molecular FormulaC14H16ClN3O2S2
Molecular Weight357.89 g/mol
Exact Mass357.04
IUPAC Name5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2nccs2)C1
InChIInChI=1S/C14H16ClN3O2S2/c1-10-2-3-11(15)8-13(10)22(19,20)17-12-4-6-18(9-12)14-16-5-7-21-14/h2-3,5,7-8,12,17H,4,6,9H2,1H3
InChIKeyUJTOKPCGECDCSG-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597536
5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621931
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
3,4-difluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597498
3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide
CID 121144936
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 99875511
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
4-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597570
5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide (CID 121144890) is 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2nccs2)C1.
What is the InChIKey of 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is UJTOKPCGECDCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S2/c1-10-2-3-11(15)8-13(10)22(19,20)17-12-4-6-18(9-12)14-16-5-7-21-14/h2-3,5,7-8,12,17H,4,6,9H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide?
5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 357.89 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 121144890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).