[4-(chloromethylsulfonylamino)phenyl]urea

C8H10ClN3O3S — CID 63666209

IUPAC[4-(chloromethylsulfonylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NS(=O)(=O)CCl)cc1
InChIInChI=1S/C8H10ClN3O3S/c9-5-16(14,15)12-7-3-1-6(2-4-7)11-8(10)13/h1-4,12H,5H2,(H3,10,11,13)
InChIKeyZLULGIMVWWIKSB-UHFFFAOYSA-N
MW263.71 g/mol
LogP1.12
Rot. Bonds4

About [4-(chloromethylsulfonylamino)phenyl]urea

[4-(chloromethylsulfonylamino)phenyl]urea (PubChem CID 63666209) has the molecular formula C8H10ClN3O3S and a molecular weight of 263.71 g/mol. Its IUPAC name is [4-(chloromethylsulfonylamino)phenyl]urea.

Molecular Properties

Compound Name[4-(chloromethylsulfonylamino)phenyl]urea
PubChem CID63666209
Molecular FormulaC8H10ClN3O3S
Molecular Weight263.71 g/mol
Exact Mass263.01
IUPAC Name[4-(chloromethylsulfonylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NS(=O)(=O)CCl)cc1
InChIInChI=1S/C8H10ClN3O3S/c9-5-16(14,15)12-7-3-1-6(2-4-7)11-8(10)13/h1-4,12H,5H2,(H3,10,11,13)
InChIKeyZLULGIMVWWIKSB-UHFFFAOYSA-N
XLogP1.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-(chloromethylsulfonylamino)phenyl]carbamate
CID 55245640
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
CID 63666171
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
3-[4-(chloromethylsulfonylamino)phenoxy]propanamide
CID 63666821
[4-(carbamoylamino)phenyl]methanesulfonyl chloride
CID 117374915
[4-(chloromethylsulfonylamino)phenyl]methanesulfonamide
CID 63666418
[4-(2-chloroethyl)phenyl]urea
CID 70156688
Sodium 4-sulfophenylurea
CID 87590877
butyl 4-(chloromethylsulfonylamino)benzoate
CID 55245248
1-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 63665538
(4-bromophenyl)urea
CID 16074
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethylsulfonylamino)phenyl]urea?
The IUPAC name of [4-(chloromethylsulfonylamino)phenyl]urea (CID 63666209) is [4-(chloromethylsulfonylamino)phenyl]urea.
What is the SMILES notation for [4-(chloromethylsulfonylamino)phenyl]urea?
The canonical SMILES for [4-(chloromethylsulfonylamino)phenyl]urea is NC(=O)Nc1ccc(NS(=O)(=O)CCl)cc1.
What is the InChIKey of [4-(chloromethylsulfonylamino)phenyl]urea?
The InChIKey is ZLULGIMVWWIKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3S/c9-5-16(14,15)12-7-3-1-6(2-4-7)11-8(10)13/h1-4,12H,5H2,(H3,10,11,13).
What are the key properties of [4-(chloromethylsulfonylamino)phenyl]urea?
[4-(chloromethylsulfonylamino)phenyl]urea has a molecular weight of 263.71 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethylsulfonylamino)phenyl]urea is sourced from PubChem (CID 63666209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).