3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide

C14H22N2O3S — CID 106871906

IUPAC3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
SMILESCOC1CCCC(Nc2cc(S(N)(=O)=O)ccc2C)C1
InChIInChI=1S/C14H22N2O3S/c1-10-6-7-13(20(15,17)18)9-14(10)16-11-4-3-5-12(8-11)19-2/h6-7,9,11-12,16H,3-5,8H2,1-2H3,(H2,15,17,18)
InChIKeyNUSUISAVZUHTKJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.01
Rot. Bonds4

About 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide

3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide (PubChem CID 106871906) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
PubChem CID106871906
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
SMILESCOC1CCCC(Nc2cc(S(N)(=O)=O)ccc2C)C1
InChIInChI=1S/C14H22N2O3S/c1-10-6-7-13(20(15,17)18)9-14(10)16-11-4-3-5-12(8-11)19-2/h6-7,9,11-12,16H,3-5,8H2,1-2H3,(H2,15,17,18)
InChIKeyNUSUISAVZUHTKJ-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline
CID 106871684
4-methyl-3-[(1-oxothian-4-yl)amino]benzenesulfonamide
CID 54981628
3-[(3,5-dimethylcyclohexyl)amino]-4-methylbenzenesulfonamide
CID 64753179
4-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 55129972
3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide
CID 55158540
5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
CID 107591263
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
CID 79459145
N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide
CID 106871646
N-(3-methoxycyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 106872073
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide (CID 106871906) is 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide is COC1CCCC(Nc2cc(S(N)(=O)=O)ccc2C)C1.
What is the InChIKey of 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide?
The InChIKey is NUSUISAVZUHTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-6-7-13(20(15,17)18)9-14(10)16-11-4-3-5-12(8-11)19-2/h6-7,9,11-12,16H,3-5,8H2,1-2H3,(H2,15,17,18).
What are the key properties of 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide?
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 106871906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).