N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide

C22H31N3O3S — CID 142707586

IUPACN-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide
SMILESCOC1CN(C)CCC1Nc1cc(NS(=O)(=O)c2ccccc2)ccc1C(C)C
InChIInChI=1S/C22H31N3O3S/c1-16(2)19-11-10-17(24-29(26,27)18-8-6-5-7-9-18)14-21(19)23-20-12-13-25(3)15-22(20)28-4/h5-11,14,16,20,22-24H,12-13,15H2,1-4H3
InChIKeyRGXJIRWAEBIGGA-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.74
Rot. Bonds7

About N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide

N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide (PubChem CID 142707586) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide
PubChem CID142707586
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC NameN-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide
SMILESCOC1CN(C)CCC1Nc1cc(NS(=O)(=O)c2ccccc2)ccc1C(C)C
InChIInChI=1S/C22H31N3O3S/c1-16(2)19-11-10-17(24-29(26,27)18-8-6-5-7-9-18)14-21(19)23-20-12-13-25(3)15-22(20)28-4/h5-11,14,16,20,22-24H,12-13,15H2,1-4H3
InChIKeyRGXJIRWAEBIGGA-UHFFFAOYSA-N
XLogP3.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-chloro-1-methylpiperidin-4-yl)amino]-4-methylphenyl]benzenesulfonamide
CID 142707558
N-[4-methoxy-3-[[3-(trifluoromethyl)piperidin-1-yl]amino]phenyl]benzenesulfonamide
CID 142707581
N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide
CID 11566896
4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
CID 99972488
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 86958237
N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]benzenesulfonamide
CID 54633710
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
N-[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 118582208
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128
4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43332053
N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide
CID 143022071

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide (CID 142707586) is N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide is COC1CN(C)CCC1Nc1cc(NS(=O)(=O)c2ccccc2)ccc1C(C)C.
What is the InChIKey of N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide?
The InChIKey is RGXJIRWAEBIGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-16(2)19-11-10-17(24-29(26,27)18-8-6-5-7-9-18)14-21(19)23-20-12-13-25(3)15-22(20)28-4/h5-11,14,16,20,22-24H,12-13,15H2,1-4H3.
What are the key properties of N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide?
N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide has a molecular weight of 417.58 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxy-1-methylpiperidin-4-yl)amino]-4-propan-2-ylphenyl]benzenesulfonamide is sourced from PubChem (CID 142707586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).