N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide

C16H17ClN2O3S2 — CID 2228807

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S2/c1-24(21,22)19-15-5-3-2-4-14(15)16(20)18-10-11-23-13-8-6-12(17)7-9-13/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyLCUGXPHLRVLFIM-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide (PubChem CID 2228807) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide
PubChem CID2228807
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S2/c1-24(21,22)19-15-5-3-2-4-14(15)16(20)18-10-11-23-13-8-6-12(17)7-9-13/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyLCUGXPHLRVLFIM-UHFFFAOYSA-N
XLogP3.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 2805665
CID 2805665
CID 1019165
CID 1019165
CID 2234045
CID 2234045
CID 135543467
CID 135543467
CID 1300212
CID 1300212
CID 2194290
CID 2194290
CID 2208446
CID 2208446
CID 2229235
CID 2229235
CID 2231474
CID 2231474
CID 2289101
CID 2289101
CID 2974949
CID 2974949
CID 2993050
CID 2993050

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide (CID 2228807) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccccc1C(=O)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide?
The InChIKey is LCUGXPHLRVLFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-24(21,22)19-15-5-3-2-4-14(15)16(20)18-10-11-23-13-8-6-12(17)7-9-13/h2-9,19H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide has a molecular weight of 384.91 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 2228807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).