N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide

C12H15ClN2O5S2 — CID 2810894

IUPACN-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C12H15ClN2O5S2/c1-8(16)14-12-3-2-10(6-11(12)13)22(19,20)15-9-4-5-21(17,18)7-9/h2-3,6,9,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyWWOUNFGXEZLDJW-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.76
Rot. Bonds4

About N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide

N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 2810894) has the molecular formula C12H15ClN2O5S2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID2810894
Molecular FormulaC12H15ClN2O5S2
Molecular Weight366.85 g/mol
Exact Mass366.01
IUPAC NameN-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C12H15ClN2O5S2/c1-8(16)14-12-3-2-10(6-11(12)13)22(19,20)15-9-4-5-21(17,18)7-9/h2-3,6,9,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyWWOUNFGXEZLDJW-UHFFFAOYSA-N
XLogP0.76
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
CID 5178972
3-(aminomethyl)-4-chloro-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 106059892
5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide
CID 146024517
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide
CID 3348697
N-[2-chloro-4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
CID 25038635
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-4-nitrobenzenesulfonamide
CID 124741614
4-cyano-N-(1,1-dioxothiolan-3-yl)-3-methylbenzenesulfonamide
CID 106832865
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 2876523
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide (CID 2810894) is N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is WWOUNFGXEZLDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O5S2/c1-8(16)14-12-3-2-10(6-11(12)13)22(19,20)15-9-4-5-21(17,18)7-9/h2-3,6,9,15H,4-5,7H2,1H3,(H,14,16).
What are the key properties of N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 366.85 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2810894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).