N-(phenylcarbamoyl)sulfamoyl chloride

C7H7ClN2O3S — CID 22179270

IUPACN-(phenylcarbamoyl)sulfamoyl chloride
SMILESO=C(Nc1ccccc1)NS(=O)(=O)Cl
InChIInChI=1S/C7H7ClN2O3S/c8-14(12,13)10-7(11)9-6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKeyKFRUZWFKPHIRPK-UHFFFAOYSA-N
MW234.66 g/mol
LogP1.29
Rot. Bonds2

About N-(phenylcarbamoyl)sulfamoyl chloride

N-(phenylcarbamoyl)sulfamoyl chloride (PubChem CID 22179270) has the molecular formula C7H7ClN2O3S and a molecular weight of 234.66 g/mol. Its IUPAC name is N-(phenylcarbamoyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(phenylcarbamoyl)sulfamoyl chloride
PubChem CID22179270
Molecular FormulaC7H7ClN2O3S
Molecular Weight234.66 g/mol
Exact Mass233.99
IUPAC NameN-(phenylcarbamoyl)sulfamoyl chloride
SMILESO=C(Nc1ccccc1)NS(=O)(=O)Cl
InChIInChI=1S/C7H7ClN2O3S/c8-14(12,13)10-7(11)9-6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKeyKFRUZWFKPHIRPK-UHFFFAOYSA-N
XLogP1.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichlorophenyl)carbamoyl]sulfamoyl chloride
CID 151962445
1-benzylsulfonyl-3-phenylurea
CID 22715536
1-[dichloro-(phenylcarbamoylamino)methyl]-3-phenylurea
CID 3516475
chlorosulfonyl N-phenylcarbamate
CID 174941251
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
CID 58646054
N-phenylsulfamoyl chloride
CID 11564615
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
1-[(1R)-1-anilino-2,2,2-trichloroethyl]-3-phenylurea
CID 1381267
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
3-(phenylcarbamoylamino)propane-1-sulfonic acid
CID 88585167

Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamoyl)sulfamoyl chloride?
The IUPAC name of N-(phenylcarbamoyl)sulfamoyl chloride (CID 22179270) is N-(phenylcarbamoyl)sulfamoyl chloride.
What is the SMILES notation for N-(phenylcarbamoyl)sulfamoyl chloride?
The canonical SMILES for N-(phenylcarbamoyl)sulfamoyl chloride is O=C(Nc1ccccc1)NS(=O)(=O)Cl.
What is the InChIKey of N-(phenylcarbamoyl)sulfamoyl chloride?
The InChIKey is KFRUZWFKPHIRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3S/c8-14(12,13)10-7(11)9-6-4-2-1-3-5-6/h1-5H,(H2,9,10,11).
What are the key properties of N-(phenylcarbamoyl)sulfamoyl chloride?
N-(phenylcarbamoyl)sulfamoyl chloride has a molecular weight of 234.66 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamoyl)sulfamoyl chloride is sourced from PubChem (CID 22179270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).