N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride

C10H14ClNO3S — CID 84760646

IUPACN-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
SMILESCC(C)COc1ccc(NS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H14ClNO3S/c1-8(2)7-15-10-5-3-9(4-6-10)12-16(11,13)14/h3-6,8,12H,7H2,1-2H3
InChIKeyMCDMSCNQIHPVIX-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.62
Rot. Bonds5

About N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride

N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride (PubChem CID 84760646) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride.

Molecular Properties

Compound NameN-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
PubChem CID84760646
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC NameN-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
SMILESCC(C)COc1ccc(NS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H14ClNO3S/c1-8(2)7-15-10-5-3-9(4-6-10)12-16(11,13)14/h3-6,8,12H,7H2,1-2H3
InChIKeyMCDMSCNQIHPVIX-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide
CID 84760719
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
CID 97082572
4-hexyl-N-[4-(2-methylpropoxy)phenyl]benzenesulfonamide
CID 84552359
2-[4-(2-methylpropoxy)anilino]-2-oxoacetic acid
CID 82496954
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
N-[[4-(2-methylpropoxy)phenyl]methyl]ethanesulfonamide
CID 47372852
N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid
CID 19863476
4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394117

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride?
The IUPAC name of N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride (CID 84760646) is N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride.
What is the SMILES notation for N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride?
The canonical SMILES for N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride is CC(C)COc1ccc(NS(=O)(=O)Cl)cc1.
What is the InChIKey of N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride?
The InChIKey is MCDMSCNQIHPVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-8(2)7-15-10-5-3-9(4-6-10)12-16(11,13)14/h3-6,8,12H,7H2,1-2H3.
What are the key properties of N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride?
N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride has a molecular weight of 263.75 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride is sourced from PubChem (CID 84760646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).