[4-(chloromethyl)phenyl]sulfamic acid

C7H8ClNO3S — CID 67380379

IUPAC[4-(chloromethyl)phenyl]sulfamic acid
SMILESO=S(=O)(O)Nc1ccc(CCl)cc1
InChIInChI=1S/C7H8ClNO3S/c8-5-6-1-3-7(4-2-6)9-13(10,11)12/h1-4,9H,5H2,(H,10,11,12)
InChIKeyUHIHMSXBILDZNB-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.64
Rot. Bonds3

About [4-(chloromethyl)phenyl]sulfamic acid

[4-(chloromethyl)phenyl]sulfamic acid (PubChem CID 67380379) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]sulfamic acid.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]sulfamic acid
PubChem CID67380379
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name[4-(chloromethyl)phenyl]sulfamic acid
SMILESO=S(=O)(O)Nc1ccc(CCl)cc1
InChIInChI=1S/C7H8ClNO3S/c8-5-6-1-3-7(4-2-6)9-13(10,11)12/h1-4,9H,5H2,(H,10,11,12)
InChIKeyUHIHMSXBILDZNB-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136
methyl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466361
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
N-[4-(chloromethyl)phenyl]-2-methylpropane-1-sulfonamide
CID 65031169
phenylsulfamic acid
CID 160771078
N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide
CID 65031220
N-[4-(chloromethyl)phenyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521723
N-[4-(chloromethyl)phenyl]-2,4,6-trifluorobenzenesulfonamide
CID 65030916
2-bromo-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65030964
propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466358
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]sulfamic acid?
The IUPAC name of [4-(chloromethyl)phenyl]sulfamic acid (CID 67380379) is [4-(chloromethyl)phenyl]sulfamic acid.
What is the SMILES notation for [4-(chloromethyl)phenyl]sulfamic acid?
The canonical SMILES for [4-(chloromethyl)phenyl]sulfamic acid is O=S(=O)(O)Nc1ccc(CCl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]sulfamic acid?
The InChIKey is UHIHMSXBILDZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c8-5-6-1-3-7(4-2-6)9-13(10,11)12/h1-4,9H,5H2,(H,10,11,12).
What are the key properties of [4-(chloromethyl)phenyl]sulfamic acid?
[4-(chloromethyl)phenyl]sulfamic acid has a molecular weight of 221.66 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]sulfamic acid is sourced from PubChem (CID 67380379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).