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

C19H18ClN3O3S3 — CID 53133654

IUPACN-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESCc1nc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)sc1C(=O)N1CCCC1
InChIInChI=1S/C19H18ClN3O3S3/c1-12-17(19(24)23-8-4-5-9-23)28-18(21-12)13-10-16(27-11-13)29(25,26)22-15-7-3-2-6-14(15)20/h2-3,6-7,10-11,22H,4-5,8-9H2,1H3
InChIKeyJLQXLIMQNKIGLC-UHFFFAOYSA-N
MW468.03 g/mol
LogP4.87
Rot. Bonds5

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

N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 53133654) has the molecular formula C19H18ClN3O3S3 and a molecular weight of 468.03 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
PubChem CID53133654
Molecular FormulaC19H18ClN3O3S3
Molecular Weight468.03 g/mol
Exact Mass467.02
IUPAC NameN-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESCc1nc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)sc1C(=O)N1CCCC1
InChIInChI=1S/C19H18ClN3O3S3/c1-12-17(19(24)23-8-4-5-9-23)28-18(21-12)13-10-16(27-11-13)29(25,26)22-15-7-3-2-6-14(15)20/h2-3,6-7,10-11,22H,4-5,8-9H2,1H3
InChIKeyJLQXLIMQNKIGLC-UHFFFAOYSA-N
XLogP4.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.03
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 53133619
N-(2-chlorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138676
4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 53133626
N-(2-chlorophenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114781
4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 53133711
N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 95092654
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 39080567
N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 27860869
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-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51042984
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-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126357

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 53133654) is N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is Cc1nc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)sc1C(=O)N1CCCC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is JLQXLIMQNKIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S3/c1-12-17(19(24)23-8-4-5-9-23)28-18(21-12)13-10-16(27-11-13)29(25,26)22-15-7-3-2-6-14(15)20/h2-3,6-7,10-11,22H,4-5,8-9H2,1H3.
What are the key properties of N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 468.03 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53133654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).