4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide

C10H10ClN3O2S2 — CID 110870210

IUPAC4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nnc(CNS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3O2S2/c1-7-13-14-10(17-7)6-12-18(15,16)9-4-2-8(11)3-5-9/h2-5,12H,6H2,1H3
InChIKeyAXUWXPKTOPCTHO-UHFFFAOYSA-N
MW303.80 g/mol
LogP1.98
Rot. Bonds4

About 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide

4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110870210) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110870210
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nnc(CNS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3O2S2/c1-7-13-14-10(17-7)6-12-18(15,16)9-4-2-8(11)3-5-9/h2-5,12H,6H2,1H3
InChIKeyAXUWXPKTOPCTHO-UHFFFAOYSA-N
XLogP1.98
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870208
3,4-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870212
4-chloro-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]methyl]benzenesulfonamide
CID 71763783
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
CID 110870205
N-[[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 102500654
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92659524
2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide
CID 167908324
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714673
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide (CID 110870210) is 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide is Cc1nnc(CNS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is AXUWXPKTOPCTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-7-13-14-10(17-7)6-12-18(15,16)9-4-2-8(11)3-5-9/h2-5,12H,6H2,1H3.
What are the key properties of 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 303.80 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110870210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).