4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide

C14H15BrN2O2S2 — CID 61012175

IUPAC4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O2S2/c15-14-8-5-12(20-14)9-16-10-3-6-13(7-4-10)21(18,19)17-11-1-2-11/h3-8,11,16-17H,1-2,9H2
InChIKeyXISCLWBZVDGBED-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.56
Rot. Bonds6

About 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide

4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide (PubChem CID 61012175) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide
PubChem CID61012175
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O2S2/c15-14-8-5-12(20-14)9-16-10-3-6-13(7-4-10)21(18,19)17-11-1-2-11/h3-8,11,16-17H,1-2,9H2
InChIKeyXISCLWBZVDGBED-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-4-ethylsulfonylaniline
CID 43689671
N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 106382169
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 61283817
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 43454039
N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 82873492
4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 61127357
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
CID 116644409

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide (CID 61012175) is 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(NCc2ccc(Br)s2)cc1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide?
The InChIKey is XISCLWBZVDGBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c15-14-8-5-12(20-14)9-16-10-3-6-13(7-4-10)21(18,19)17-11-1-2-11/h3-8,11,16-17H,1-2,9H2.
What are the key properties of 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide?
4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide has a molecular weight of 387.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 61012175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).