N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide

C8H7ClN4O2S2 — CID 3395522

IUPACN-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide
SMILESNc1nc(NS(=O)(=O)c2ccccc2Cl)ns1
InChIInChI=1S/C8H7ClN4O2S2/c9-5-3-1-2-4-6(5)17(14,15)13-8-11-7(10)16-12-8/h1-4H,(H3,10,11,12,13)
InChIKeyDNBNNLQKPCDBJA-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.57
Rot. Bonds3

About N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide

N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide (PubChem CID 3395522) has the molecular formula C8H7ClN4O2S2 and a molecular weight of 290.76 g/mol. Its IUPAC name is N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide
PubChem CID3395522
Molecular FormulaC8H7ClN4O2S2
Molecular Weight290.76 g/mol
Exact Mass289.97
IUPAC NameN-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide
SMILESNc1nc(NS(=O)(=O)c2ccccc2Cl)ns1
InChIInChI=1S/C8H7ClN4O2S2/c9-5-3-1-2-4-6(5)17(14,15)13-8-11-7(10)16-12-8/h1-4H,(H3,10,11,12,13)
InChIKeyDNBNNLQKPCDBJA-UHFFFAOYSA-N
XLogP1.57
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
CID 28861731
2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 118077526
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
N-(3-amino-4-pyridinyl)-2-chlorobenzenesulfonamide
CID 55147770
5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868855
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide
CID 114052205
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide (CID 3395522) is N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide is Nc1nc(NS(=O)(=O)c2ccccc2Cl)ns1.
What is the InChIKey of N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide?
The InChIKey is DNBNNLQKPCDBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S2/c9-5-3-1-2-4-6(5)17(14,15)13-8-11-7(10)16-12-8/h1-4H,(H3,10,11,12,13).
What are the key properties of N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide?
N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide has a molecular weight of 290.76 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 3395522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).