4-(cyclopropanecarbonylamino)benzenesulfonyl chloride

C10H10ClNO3S — CID 16774559

IUPAC4-(cyclopropanecarbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)C1CC1
InChIInChI=1S/C10H10ClNO3S/c11-16(14,15)9-5-3-8(4-6-9)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)
InChIKeyBKZWDCYSGUHCAG-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.96
Rot. Bonds3

About 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride

4-(cyclopropanecarbonylamino)benzenesulfonyl chloride (PubChem CID 16774559) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)benzenesulfonyl chloride
PubChem CID16774559
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name4-(cyclopropanecarbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)C1CC1
InChIInChI=1S/C10H10ClNO3S/c11-16(14,15)9-5-3-8(4-6-9)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)
InChIKeyBKZWDCYSGUHCAG-UHFFFAOYSA-N
XLogP1.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
CID 110778740
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
CID 87188677
4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide
CID 7918659
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 31972791

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride?
The IUPAC name of 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride (CID 16774559) is 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride?
The InChIKey is BKZWDCYSGUHCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c11-16(14,15)9-5-3-8(4-6-9)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13).
What are the key properties of 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride?
4-(cyclopropanecarbonylamino)benzenesulfonyl chloride has a molecular weight of 259.71 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 16774559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).