N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide

C14H24N2O2S — CID 43792529

IUPACN,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide
SMILESCCC(Nc1cc(S(=O)(=O)NC)ccc1C)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-6-13(10(2)3)16-14-9-12(8-7-11(14)4)19(17,18)15-5/h7-10,13,15-16H,6H2,1-5H3
InChIKeyIDUYPYIRLNDUKE-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.75
Rot. Bonds6

About N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide

N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide (PubChem CID 43792529) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide
PubChem CID43792529
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide
SMILESCCC(Nc1cc(S(=O)(=O)NC)ccc1C)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-6-13(10(2)3)16-14-9-12(8-7-11(14)4)19(17,18)15-5/h7-10,13,15-16H,6H2,1-5H3
InChIKeyIDUYPYIRLNDUKE-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43752075
N,4-dimethyl-3-(pentylamino)benzenesulfonamide
CID 43752016
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
CID 116501144
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
2-(ethylamino)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 62831773
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 43783525
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide (CID 43792529) is N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide is CCC(Nc1cc(S(=O)(=O)NC)ccc1C)C(C)C.
What is the InChIKey of N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide?
The InChIKey is IDUYPYIRLNDUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-13(10(2)3)16-14-9-12(8-7-11(14)4)19(17,18)15-5/h7-10,13,15-16H,6H2,1-5H3.
What are the key properties of N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide?
N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 43792529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).