N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide

C15H14ClN3O2S3 — CID 22027898

IUPACN-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(-c3sccc3Cl)ns2)cc1
InChIInChI=1S/C15H14ClN3O2S3/c1-2-3-10-4-6-11(7-5-10)24(20,21)19-15-17-14(18-23-15)13-12(16)8-9-22-13/h4-9H,2-3H2,1H3,(H,17,18,19)
InChIKeyJLQNPYYJOSYJMZ-UHFFFAOYSA-N
MW399.95 g/mol
LogP4.67
Rot. Bonds6

About N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide

N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide (PubChem CID 22027898) has the molecular formula C15H14ClN3O2S3 and a molecular weight of 399.95 g/mol. Its IUPAC name is N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
PubChem CID22027898
Molecular FormulaC15H14ClN3O2S3
Molecular Weight399.95 g/mol
Exact Mass398.99
IUPAC NameN-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(-c3sccc3Cl)ns2)cc1
InChIInChI=1S/C15H14ClN3O2S3/c1-2-3-10-4-6-11(7-5-10)24(20,21)19-15-17-14(18-23-15)13-12(16)8-9-22-13/h4-9H,2-3H2,1H3,(H,17,18,19)
InChIKeyJLQNPYYJOSYJMZ-UHFFFAOYSA-N
XLogP4.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 11373686
4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide
CID 22028023
N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
CID 22028015
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
N-(2-amino-6-chlorophenyl)-4-propylbenzenesulfonamide
CID 62083735
4-phenoxy-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081352
2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545585
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
N-[5-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 11235986
N-iodo-4-propylbenzenesulfonamide
CID 143564822

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide (CID 22027898) is N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2nc(-c3sccc3Cl)ns2)cc1.
What is the InChIKey of N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide?
The InChIKey is JLQNPYYJOSYJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S3/c1-2-3-10-4-6-11(7-5-10)24(20,21)19-15-17-14(18-23-15)13-12(16)8-9-22-13/h4-9H,2-3H2,1H3,(H,17,18,19).
What are the key properties of N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide?
N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide has a molecular weight of 399.95 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 22027898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).