N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide

C15H20BrN3O3S — CID 18314041

IUPACN-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide
SMILESO=S(=O)(CC(O)CCCc1cnc[nH]1)NCc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O3S/c16-13-6-4-12(5-7-13)8-19-23(21,22)10-15(20)3-1-2-14-9-17-11-18-14/h4-7,9,11,15,19-20H,1-3,8,10H2,(H,17,18)
InChIKeyFLAKHNXUJJBAAQ-UHFFFAOYSA-N
MW402.31 g/mol
LogP1.98
Rot. Bonds9

About N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide

N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide (PubChem CID 18314041) has the molecular formula C15H20BrN3O3S and a molecular weight of 402.31 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide
PubChem CID18314041
Molecular FormulaC15H20BrN3O3S
Molecular Weight402.31 g/mol
Exact Mass401.04
IUPAC NameN-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide
SMILESO=S(=O)(CC(O)CCCc1cnc[nH]1)NCc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O3S/c16-13-6-4-12(5-7-13)8-19-23(21,22)10-15(20)3-1-2-14-9-17-11-18-14/h4-7,9,11,15,19-20H,1-3,8,10H2,(H,17,18)
InChIKeyFLAKHNXUJJBAAQ-UHFFFAOYSA-N
XLogP1.98
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 18314087
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1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
CID 11278861
10-(1H-imidazol-5-yl)decane-1,1-diol
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3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide
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N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide
CID 63665760
2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
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(4-bromophenyl)methyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 82824643
(4-bromophenyl)methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 104894912
5-[6-[6-(1H-imidazol-5-yl)-2-phenylhexyl]sulfonyl-5-phenylhexyl]-1H-imidazole
CID 152769384
2-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylaminomethyl)benzenesulfonamide
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N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116815160

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide (CID 18314041) is N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide is O=S(=O)(CC(O)CCCc1cnc[nH]1)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide?
The InChIKey is FLAKHNXUJJBAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3S/c16-13-6-4-12(5-7-13)8-19-23(21,22)10-15(20)3-1-2-14-9-17-11-18-14/h4-7,9,11,15,19-20H,1-3,8,10H2,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide?
N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide has a molecular weight of 402.31 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-hydroxy-5-(1H-imidazol-5-yl)pentane-1-sulfonamide is sourced from PubChem (CID 18314041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).