N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C20H15ClN4O3S3 — CID 60576311

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H15ClN4O3S3/c21-17-9-2-1-8-16(17)19-24-25-20(30-19)23-18(26)13-5-3-7-15(11-13)31(27,28)22-12-14-6-4-10-29-14/h1-11,22H,12H2,(H,23,25,26)
InChIKeyDREQVNSAZDMMIX-UHFFFAOYSA-N
MW491.02 g/mol
LogP4.65
Rot. Bonds7

About N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 60576311) has the molecular formula C20H15ClN4O3S3 and a molecular weight of 491.02 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID60576311
Molecular FormulaC20H15ClN4O3S3
Molecular Weight491.02 g/mol
Exact Mass490.00
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C20H15ClN4O3S3/c21-17-9-2-1-8-16(17)19-24-25-20(30-19)23-18(26)13-5-3-7-15(11-13)31(27,28)22-12-14-6-4-10-29-14/h1-11,22H,12H2,(H,23,25,26)
InChIKeyDREQVNSAZDMMIX-UHFFFAOYSA-N
XLogP4.65
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.02
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26717987
N-[2-chloro-5-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 60576136
N-(5-methyl-2-pyridinyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 35026773
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60574675
3-[(pyridine-3-carbonylamino)carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35017463
N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 16813775
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 60576311) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is DREQVNSAZDMMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S3/c21-17-9-2-1-8-16(17)19-24-25-20(30-19)23-18(26)13-5-3-7-15(11-13)31(27,28)22-12-14-6-4-10-29-14/h1-11,22H,12H2,(H,23,25,26).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 491.02 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 60576311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).