N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

C16H23N5O2S — CID 1176998

IUPACN-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C16H23N5O2S/c1-3-21(14-7-5-4-6-8-14)24(22,23)15-9-10-16(13(2)11-15)20-12-17-18-19-20/h9-12,14H,3-8H2,1-2H3
InChIKeyDDXUSUBKYHEJTG-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.31
Rot. Bonds5

About N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1176998) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1176998
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C16H23N5O2S/c1-3-21(14-7-5-4-6-8-14)24(22,23)15-9-10-16(13(2)11-15)20-12-17-18-19-20/h9-12,14H,3-8H2,1-2H3
InChIKeyDDXUSUBKYHEJTG-UHFFFAOYSA-N
XLogP2.31
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 1176998) is N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cnnn2)c(C)c1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is DDXUSUBKYHEJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-21(14-7-5-4-6-8-14)24(22,23)15-9-10-16(13(2)11-15)20-12-17-18-19-20/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1176998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).