N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

C20H21ClN4O3S2 — CID 53138676

IUPACN-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)cn2C)sc1C(=O)N1CCCC1
InChIInChI=1S/C20H21ClN4O3S2/c1-13-18(20(26)25-9-5-6-10-25)29-19(22-13)17-11-14(12-24(17)2)30(27,28)23-16-8-4-3-7-15(16)21/h3-4,7-8,11-12,23H,5-6,9-10H2,1-2H3
InChIKeyZHFZRTLDDBNTET-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.15
Rot. Bonds5

About N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (PubChem CID 53138676) has the molecular formula C20H21ClN4O3S2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
PubChem CID53138676
Molecular FormulaC20H21ClN4O3S2
Molecular Weight465.00 g/mol
Exact Mass464.07
IUPAC NameN-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)cn2C)sc1C(=O)N1CCCC1
InChIInChI=1S/C20H21ClN4O3S2/c1-13-18(20(26)25-9-5-6-10-25)29-19(22-13)17-11-14(12-24(17)2)30(27,28)23-16-8-4-3-7-15(16)21/h3-4,7-8,11-12,23H,5-6,9-10H2,1-2H3
InChIKeyZHFZRTLDDBNTET-UHFFFAOYSA-N
XLogP4.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138787
N-(5-chloro-2-methylphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138700
N-(2-chlorophenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114781
1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2S)-2-phenylpropyl]pyrrole-3-sulfonamide
CID 95094197
N-cyclopropyl-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138642
N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 53133654
1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide
CID 95094206
N-[(2R)-butan-2-yl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 95094193
N-(2,5-dimethylphenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138789
1-methyl-N-(3-methylbutyl)-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138644
N-(2,4-difluorophenyl)-1-methyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138773
N-[(4-fluorophenyl)methyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138656

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (CID 53138676) is N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)cn2C)sc1C(=O)N1CCCC1.
What is the InChIKey of N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
The InChIKey is ZHFZRTLDDBNTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S2/c1-13-18(20(26)25-9-5-6-10-25)29-19(22-13)17-11-14(12-24(17)2)30(27,28)23-16-8-4-3-7-15(16)21/h3-4,7-8,11-12,23H,5-6,9-10H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?
N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide has a molecular weight of 465.00 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 53138676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).