N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide

C14H23BrN2O2S — CID 70938775

IUPACN-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2O2S/c1-12(2)20(18,19)17-11-5-3-4-10-16-14-8-6-13(15)7-9-14/h6-9,12,16-17H,3-5,10-11H2,1-2H3
InChIKeyOXCHQVBHQWMUFN-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.36
Rot. Bonds9

About N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide

N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide (PubChem CID 70938775) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide
PubChem CID70938775
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC NameN-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2O2S/c1-12(2)20(18,19)17-11-5-3-4-10-16-14-8-6-13(15)7-9-14/h6-9,12,16-17H,3-5,10-11H2,1-2H3
InChIKeyOXCHQVBHQWMUFN-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
CID 70939605
N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide
CID 90944908
N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide
CID 59549730
N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide
CID 118376544
N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide
CID 59230593
N-[5-(4-butoxy-3-hydroxyanilino)pentyl]propane-2-sulfonamide
CID 70939723
5-(4-bromoanilino)pentan-1-ol
CID 62227139
N-[5-[3-chloro-4-[cyano(phenyl)methyl]anilino]pentyl]propane-2-sulfonamide
CID 70938957
N-[5-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentyl]propane-2-sulfonamide
CID 59549747
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
N-(4-bromophenyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55195304
N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide
CID 59230914

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide (CID 70938775) is N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCCCNc1ccc(Br)cc1.
What is the InChIKey of N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide?
The InChIKey is OXCHQVBHQWMUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-12(2)20(18,19)17-11-5-3-4-10-16-14-8-6-13(15)7-9-14/h6-9,12,16-17H,3-5,10-11H2,1-2H3.
What are the key properties of N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide?
N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide has a molecular weight of 363.32 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide is sourced from PubChem (CID 70938775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).