N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide

C17H17ClFN3O2S2 — CID 53035553

IUPACN-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)n2C)sc1C
InChIInChI=1S/C17H17ClFN3O2S2/c1-9-11(3)25-17(20-9)15-8-16(10(2)22(15)4)26(23,24)21-12-5-6-14(19)13(18)7-12/h5-8,21H,1-4H3
InChIKeyQABNDGFNDGCELH-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.67
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide

N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide (PubChem CID 53035553) has the molecular formula C17H17ClFN3O2S2 and a molecular weight of 413.93 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
PubChem CID53035553
Molecular FormulaC17H17ClFN3O2S2
Molecular Weight413.93 g/mol
Exact Mass413.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)n2C)sc1C
InChIInChI=1S/C17H17ClFN3O2S2/c1-9-11(3)25-17(20-9)15-8-16(10(2)22(15)4)26(23,24)21-12-5-6-14(19)13(18)7-12/h5-8,21H,1-4H3
InChIKeyQABNDGFNDGCELH-UHFFFAOYSA-N
XLogP4.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53035535
N-(3-chloro-4-fluorophenyl)-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068713
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-fluorophenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53114907
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
1,2-dimethyl-N-(4-methylphenyl)-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114780
N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085849
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035527
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide (CID 53035553) is N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)n2C)sc1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide?
The InChIKey is QABNDGFNDGCELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2S2/c1-9-11(3)25-17(20-9)15-8-16(10(2)22(15)4)26(23,24)21-12-5-6-14(19)13(18)7-12/h5-8,21H,1-4H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide?
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide has a molecular weight of 413.93 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53035553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).