N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide

C16H15ClN4O2S3 — CID 2345318

IUPACN-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide
SMILESNc1nnc(S[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)s1
InChIInChI=1S/C16H15ClN4O2S3/c17-12-6-8-13(9-7-12)26(22,23)19-10-14(11-4-2-1-3-5-11)24-16-21-20-15(18)25-16/h1-9,14,19H,10H2,(H2,18,20)/t14-/m0/s1
InChIKeySGYDSGYUDRBGNV-AWEZNQCLSA-N
MW426.98 g/mol
LogP3.59
Rot. Bonds7

About N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide

N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide (PubChem CID 2345318) has the molecular formula C16H15ClN4O2S3 and a molecular weight of 426.98 g/mol. Its IUPAC name is N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide
PubChem CID2345318
Molecular FormulaC16H15ClN4O2S3
Molecular Weight426.98 g/mol
Exact Mass426.00
IUPAC NameN-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide
SMILESNc1nnc(S[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)s1
InChIInChI=1S/C16H15ClN4O2S3/c17-12-6-8-13(9-7-12)26(22,23)19-10-14(11-4-2-1-3-5-11)24-16-21-20-15(18)25-16/h1-9,14,19H,10H2,(H2,18,20)/t14-/m0/s1
InChIKeySGYDSGYUDRBGNV-AWEZNQCLSA-N
XLogP3.59
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.98
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366
4-chloro-N-[(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethyl]benzenesulfonamide
CID 2345300
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
N-[(1R,2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]-4-chlorobenzenesulfonamide
CID 2198285
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-methylbenzenesulfonamide
CID 2197756
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-fluorobenzenesulfonamide
CID 135347485
4-chloro-N-[2-[[4-[(2-methoxyphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethyl]benzenesulfonamide
CID 4626660
4-chloro-N-[(2R)-2-phenyl-2-(2-phenylhydrazinyl)ethyl]benzenesulfonamide
CID 51567307
N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide
CID 51356515
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,2-diphenylacetamide
CID 24557252

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide (CID 2345318) is N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide is Nc1nnc(S[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)s1.
What is the InChIKey of N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide?
The InChIKey is SGYDSGYUDRBGNV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15ClN4O2S3/c17-12-6-8-13(9-7-12)26(22,23)19-10-14(11-4-2-1-3-5-11)24-16-21-20-15(18)25-16/h1-9,14,19H,10H2,(H2,18,20)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide?
N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide has a molecular weight of 426.98 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2345318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).