2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide

C18H28N6O2S — CID 70938893

IUPAC2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3ncnn3)cc2)CC1
InChIInChI=1S/C18H28N6O2S/c1-18(2,3)27(25,26)22-16-6-4-14(5-7-16)12-19-15-8-10-17(11-9-15)24-21-13-20-23-24/h8-11,13-14,16,19,22H,4-7,12H2,1-3H3
InChIKeyYAUNIIUWNOGMMV-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.35
Rot. Bonds6

About 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide

2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70938893) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70938893
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC Name2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3ncnn3)cc2)CC1
InChIInChI=1S/C18H28N6O2S/c1-18(2,3)27(25,26)22-16-6-4-14(5-7-16)12-19-15-8-10-17(11-9-15)24-21-13-20-23-24/h8-11,13-14,16,19,22H,4-7,12H2,1-3H3
InChIKeyYAUNIIUWNOGMMV-UHFFFAOYSA-N
XLogP2.35
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide with MolForge

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Related Compounds

N-[4-[[4-[(5R)-3,5-dimethylpiperidin-1-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70910997
N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939433
N-[4-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376519
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70938882
2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938806
N-[4-[[4-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 59549679
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939108
2-methyl-N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]butane-2-sulfonamide
CID 70939620
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide
CID 70939054
2-methyl-N-[4-[[(2-methyl-1,3-dioxoisoindol-5-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939068
2-methyl-N-[4-[(3-pyrrol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride
CID 157423224
N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide (CID 70938893) is 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(-n3ncnn3)cc2)CC1.
What is the InChIKey of 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is YAUNIIUWNOGMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-18(2,3)27(25,26)22-16-6-4-14(5-7-16)12-19-15-8-10-17(11-9-15)24-21-13-20-23-24/h8-11,13-14,16,19,22H,4-7,12H2,1-3H3.
What are the key properties of 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 392.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70938893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).