[4-(carbamoylamino)phenyl]methanesulfonyl chloride

C8H9ClN2O3S — CID 117374915

IUPAC[4-(carbamoylamino)phenyl]methanesulfonyl chloride
SMILESNC(=O)Nc1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C8H9ClN2O3S/c9-15(13,14)5-6-1-3-7(4-2-6)11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyREXSJULPSFBDOV-UHFFFAOYSA-N
MW248.69 g/mol
LogP1.25
Rot. Bonds3

About [4-(carbamoylamino)phenyl]methanesulfonyl chloride

[4-(carbamoylamino)phenyl]methanesulfonyl chloride (PubChem CID 117374915) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is [4-(carbamoylamino)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(carbamoylamino)phenyl]methanesulfonyl chloride
PubChem CID117374915
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name[4-(carbamoylamino)phenyl]methanesulfonyl chloride
SMILESNC(=O)Nc1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C8H9ClN2O3S/c9-15(13,14)5-6-1-3-7(4-2-6)11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKeyREXSJULPSFBDOV-UHFFFAOYSA-N
XLogP1.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chloroethyl)phenyl]urea
CID 70156688
[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride
CID 141453398
[4-(chloromethylsulfonylamino)phenyl]urea
CID 63666209
Sodium 4-sulfophenylurea
CID 87590877
[4-(carbamoylamino)phenyl]methyliodanuidylformamide
CID 163459688
[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962
(4-bromophenyl)urea
CID 16074
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
[4-[(2-aminophenyl)methyl]phenyl]urea
CID 139902177
N-[4-(sulfamoylmethyl)phenyl]pyrazine-2-carboxamide
CID 60715551

Frequently Asked Questions

What is the IUPAC name of [4-(carbamoylamino)phenyl]methanesulfonyl chloride?
The IUPAC name of [4-(carbamoylamino)phenyl]methanesulfonyl chloride (CID 117374915) is [4-(carbamoylamino)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [4-(carbamoylamino)phenyl]methanesulfonyl chloride?
The canonical SMILES for [4-(carbamoylamino)phenyl]methanesulfonyl chloride is NC(=O)Nc1ccc(CS(=O)(=O)Cl)cc1.
What is the InChIKey of [4-(carbamoylamino)phenyl]methanesulfonyl chloride?
The InChIKey is REXSJULPSFBDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c9-15(13,14)5-6-1-3-7(4-2-6)11-8(10)12/h1-4H,5H2,(H3,10,11,12).
What are the key properties of [4-(carbamoylamino)phenyl]methanesulfonyl chloride?
[4-(carbamoylamino)phenyl]methanesulfonyl chloride has a molecular weight of 248.69 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carbamoylamino)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117374915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).