N-[4-(dimethylamino)phenyl]sulfamoyl chloride

C8H11ClN2O2S — CID 84760640

IUPACN-[4-(dimethylamino)phenyl]sulfamoyl chloride
SMILESCN(C)c1ccc(NS(=O)(=O)Cl)cc1
InChIInChI=1S/C8H11ClN2O2S/c1-11(2)8-5-3-7(4-6-8)10-14(9,12)13/h3-6,10H,1-2H3
InChIKeyIHGJCKYYQCCDJV-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.65
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]sulfamoyl chloride

N-[4-(dimethylamino)phenyl]sulfamoyl chloride (PubChem CID 84760640) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]sulfamoyl chloride.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]sulfamoyl chloride
PubChem CID84760640
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC NameN-[4-(dimethylamino)phenyl]sulfamoyl chloride
SMILESCN(C)c1ccc(NS(=O)(=O)Cl)cc1
InChIInChI=1S/C8H11ClN2O2S/c1-11(2)8-5-3-7(4-6-8)10-14(9,12)13/h3-6,10H,1-2H3
InChIKeyIHGJCKYYQCCDJV-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 22774991
1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine
CID 89056981
1-chloro-N,N',N"-tris[4-(dimethylamino)phenyl]methanetriamine
CID 140531213
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
CID 113098713
2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 60986470
N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide
CID 143109369
4-[4-(dimethylamino)anilino]benzenesulfonic acid
CID 22146835
N-[4-(dimethylamino)phenyl]pyrene-2-sulfonamide
CID 100936136
3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431
N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 70331395
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]sulfamoyl chloride?
The IUPAC name of N-[4-(dimethylamino)phenyl]sulfamoyl chloride (CID 84760640) is N-[4-(dimethylamino)phenyl]sulfamoyl chloride.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]sulfamoyl chloride?
The canonical SMILES for N-[4-(dimethylamino)phenyl]sulfamoyl chloride is CN(C)c1ccc(NS(=O)(=O)Cl)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]sulfamoyl chloride?
The InChIKey is IHGJCKYYQCCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-11(2)8-5-3-7(4-6-8)10-14(9,12)13/h3-6,10H,1-2H3.
What are the key properties of N-[4-(dimethylamino)phenyl]sulfamoyl chloride?
N-[4-(dimethylamino)phenyl]sulfamoyl chloride has a molecular weight of 234.71 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]sulfamoyl chloride is sourced from PubChem (CID 84760640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).