N,N-dicyclohexylbutane-1-sulfonamide

C16H31NO2S — CID 19682437

IUPACN,N-dicyclohexylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO2S/c1-2-3-14-20(18,19)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3
InChIKeyVMCSYBARNQIYBN-UHFFFAOYSA-N
MW301.50 g/mol
LogP4.08
Rot. Bonds6

About N,N-dicyclohexylbutane-1-sulfonamide

N,N-dicyclohexylbutane-1-sulfonamide (PubChem CID 19682437) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is N,N-dicyclohexylbutane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexylbutane-1-sulfonamide
PubChem CID19682437
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC NameN,N-dicyclohexylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31NO2S/c1-2-3-14-20(18,19)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3
InChIKeyVMCSYBARNQIYBN-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexylbutane-1-sulfonamide?
The IUPAC name of N,N-dicyclohexylbutane-1-sulfonamide (CID 19682437) is N,N-dicyclohexylbutane-1-sulfonamide.
What is the SMILES notation for N,N-dicyclohexylbutane-1-sulfonamide?
The canonical SMILES for N,N-dicyclohexylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexylbutane-1-sulfonamide?
The InChIKey is VMCSYBARNQIYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-2-3-14-20(18,19)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3.
What are the key properties of N,N-dicyclohexylbutane-1-sulfonamide?
N,N-dicyclohexylbutane-1-sulfonamide has a molecular weight of 301.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexylbutane-1-sulfonamide is sourced from PubChem (CID 19682437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).