N-propan-2-yl-N-propylsulfamoyl chloride

C6H14ClNO2S — CID 21113543

IUPACN-propan-2-yl-N-propylsulfamoyl chloride
SMILESCCCN(C(C)C)S(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-4-5-8(6(2)3)11(7,9)10/h6H,4-5H2,1-3H3
InChIKeyPYNZMNMGUHSPTC-UHFFFAOYSA-N
MW199.70 g/mol
LogP1.59
Rot. Bonds4

About N-propan-2-yl-N-propylsulfamoyl chloride

N-propan-2-yl-N-propylsulfamoyl chloride (PubChem CID 21113543) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is N-propan-2-yl-N-propylsulfamoyl chloride.

Molecular Properties

Compound NameN-propan-2-yl-N-propylsulfamoyl chloride
PubChem CID21113543
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC NameN-propan-2-yl-N-propylsulfamoyl chloride
SMILESCCCN(C(C)C)S(=O)(=O)Cl
InChIInChI=1S/C6H14ClNO2S/c1-4-5-8(6(2)3)11(7,9)10/h6H,4-5H2,1-3H3
InChIKeyPYNZMNMGUHSPTC-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylsulfamoyl chloride
CID 11252267
N-methyl-N-propylsulfamoyl chloride
CID 12919367
N,N-dipropylsulfamoyl chloride
CID 16228222
N-butyl-N-methylsulfamoyl chloride
CID 16770019
N-Methyl-N-(1-methylethyl)sulfamoyl chloride
CID 16794766
N-cyclopropyl-N-methylsulfamoyl chloride
CID 22636994
N-butyl-N-ethylsulfamoyl chloride
CID 16769495
N-cyclopropyl-N-ethylsulfamoyl chloride
CID 43264097
N-ethyl-N-(propan-2-yl)sulfamoyl chloride
CID 43265685
N-ethyl-N-propylsulfamoyl chloride
CID 43268661
N-(butan-2-yl)-N-methylsulfamoyl chloride
CID 43272832
N-cyclobutyl-N-methylsulfamoyl chloride
CID 116352063

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propylsulfamoyl chloride?
The IUPAC name of N-propan-2-yl-N-propylsulfamoyl chloride (CID 21113543) is N-propan-2-yl-N-propylsulfamoyl chloride.
What is the SMILES notation for N-propan-2-yl-N-propylsulfamoyl chloride?
The canonical SMILES for N-propan-2-yl-N-propylsulfamoyl chloride is CCCN(C(C)C)S(=O)(=O)Cl.
What is the InChIKey of N-propan-2-yl-N-propylsulfamoyl chloride?
The InChIKey is PYNZMNMGUHSPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S/c1-4-5-8(6(2)3)11(7,9)10/h6H,4-5H2,1-3H3.
What are the key properties of N-propan-2-yl-N-propylsulfamoyl chloride?
N-propan-2-yl-N-propylsulfamoyl chloride has a molecular weight of 199.70 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propylsulfamoyl chloride is sourced from PubChem (CID 21113543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).