N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide

C14H19N5O2S — CID 23541047

IUPACN-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H19N5O2S/c1-19-14(15-17-18-19)11-7-9-13(10-8-11)22(20,21)16-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3
InChIKeyRKTCWTDQJXBGPG-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.49
Rot. Bonds4

About N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide

N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 23541047) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID23541047
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H19N5O2S/c1-19-14(15-17-18-19)11-7-9-13(10-8-11)22(20,21)16-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3
InChIKeyRKTCWTDQJXBGPG-UHFFFAOYSA-N
XLogP1.49
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide (CID 23541047) is N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide is Cn1nnnc1-c1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is RKTCWTDQJXBGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-19-14(15-17-18-19)11-7-9-13(10-8-11)22(20,21)16-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide?
N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 321.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 23541047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).