N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide

C16H28N2O2S — CID 43752075

IUPACN,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide
SMILESCCC(C)CC(CC)Nc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C16H28N2O2S/c1-6-12(3)10-14(7-2)18-16-11-15(9-8-13(16)4)21(19,20)17-5/h8-9,11-12,14,17-18H,6-7,10H2,1-5H3
InChIKeyMXDZKEFCQJSEQE-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.53
Rot. Bonds8

About N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide

N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide (PubChem CID 43752075) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide
PubChem CID43752075
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide
SMILESCCC(C)CC(CC)Nc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C16H28N2O2S/c1-6-12(3)10-14(7-2)18-16-11-15(9-8-13(16)4)21(19,20)17-5/h8-9,11-12,14,17-18H,6-7,10H2,1-5H3
InChIKeyMXDZKEFCQJSEQE-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43742528
N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 43792529
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
CID 66478749
3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
CID 116501144
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
N,4-dimethyl-3-(pentylamino)benzenesulfonamide
CID 43752016
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
N-(5-methylheptan-3-yl)-2-methylsulfonylaniline
CID 43724656

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide (CID 43752075) is N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide is CCC(C)CC(CC)Nc1cc(S(=O)(=O)NC)ccc1C.
What is the InChIKey of N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide?
The InChIKey is MXDZKEFCQJSEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-12(3)10-14(7-2)18-16-11-15(9-8-13(16)4)21(19,20)17-5/h8-9,11-12,14,17-18H,6-7,10H2,1-5H3.
What are the key properties of N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide?
N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 43752075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).