N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide

C19H26N2O2S — CID 139908024

IUPACN-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide
SMILESCCCN(CCC)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H26N2O2S/c1-4-13-21(14-5-2)18-8-6-7-17(15-18)20-24(22,23)19-11-9-16(3)10-12-19/h6-12,15,20H,4-5,13-14H2,1-3H3
InChIKeyDGNHYVUTOYJUQD-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.42
Rot. Bonds8

About N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide

N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide (PubChem CID 139908024) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide
PubChem CID139908024
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide
SMILESCCCN(CCC)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H26N2O2S/c1-4-13-21(14-5-2)18-8-6-7-17(15-18)20-24(22,23)19-11-9-16(3)10-12-19/h6-12,15,20H,4-5,13-14H2,1-3H3
InChIKeyDGNHYVUTOYJUQD-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide
CID 24636864
N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
CID 115378257
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
CID 169372431
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
3-[bis(2-butoxyethyl)amino]-N-phenylbenzenesulfonamide
CID 54118220

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide (CID 139908024) is N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide is CCCN(CCC)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is DGNHYVUTOYJUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-4-13-21(14-5-2)18-8-6-7-17(15-18)20-24(22,23)19-11-9-16(3)10-12-19/h6-12,15,20H,4-5,13-14H2,1-3H3.
What are the key properties of N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide?
N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 139908024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).