N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide

C16H23ClN2O2S — CID 113084580

IUPACN-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)(C)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H23ClN2O2S/c1-4-5-8-22(20,21)19-11-16(2,3)14-10-18-15-9-12(17)6-7-13(14)15/h6-7,9-10,18-19H,4-5,8,11H2,1-3H3
InChIKeyYKXXFACIFZOEAE-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.82
Rot. Bonds7

About N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide

N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide (PubChem CID 113084580) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
PubChem CID113084580
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC NameN-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(C)(C)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H23ClN2O2S/c1-4-5-8-22(20,21)19-11-16(2,3)14-10-18-15-9-12(17)6-7-13(14)15/h6-7,9-10,18-19H,4-5,8,11H2,1-3H3
InChIKeyYKXXFACIFZOEAE-UHFFFAOYSA-N
XLogP3.82
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084493
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084400
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
CID 113084506
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
CID 113084495
N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
CID 19680731
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 113084507
6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
CID 176897884
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide (CID 113084580) is N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(C)(C)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide?
The InChIKey is YKXXFACIFZOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c1-4-5-8-22(20,21)19-11-16(2,3)14-10-18-15-9-12(17)6-7-13(14)15/h6-7,9-10,18-19H,4-5,8,11H2,1-3H3.
What are the key properties of N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide?
N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide has a molecular weight of 342.89 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide is sourced from PubChem (CID 113084580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).