4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide

C20H29N3O2S — CID 113015435

IUPAC4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide
SMILESCCCCN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H29N3O2S/c1-6-7-14-23(5)19-13-10-17(15-21-19)22-26(24,25)18-11-8-16(9-12-18)20(2,3)4/h8-13,15,22H,6-7,14H2,1-5H3
InChIKeyRITZGLJJARHYKC-UHFFFAOYSA-N
MW375.54 g/mol
LogP4.42
Rot. Bonds7

About 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide

4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide (PubChem CID 113015435) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide
PubChem CID113015435
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide
SMILESCCCCN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H29N3O2S/c1-6-7-14-23(5)19-13-10-17(15-21-19)22-26(24,25)18-11-8-16(9-12-18)20(2,3)4/h8-13,15,22H,6-7,14H2,1-5H3
InChIKeyRITZGLJJARHYKC-UHFFFAOYSA-N
XLogP4.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113015430
N-[6-(dipropylamino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113015745
N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113015372
4-tert-butyl-N-[4-[3-(dimethylamino)propylamino]phenyl]benzenesulfonamide
CID 112981608
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340
N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012992
5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine
CID 146305639
4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980197
4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide (CID 113015435) is 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide is CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide?
The InChIKey is RITZGLJJARHYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-6-7-14-23(5)19-13-10-17(15-21-19)22-26(24,25)18-11-8-16(9-12-18)20(2,3)4/h8-13,15,22H,6-7,14H2,1-5H3.
What are the key properties of 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide?
4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide has a molecular weight of 375.54 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113015435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).