N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide

C10H12BrClN2O3S2 — CID 115685407

IUPACN-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)c1cc(Cl)c(Br)s1)C1CC1
InChIInChI=1S/C10H12BrClN2O3S2/c11-9-7(12)5-8(18-9)19(16,17)14-4-3-13-10(15)6-1-2-6/h5-6,14H,1-4H2,(H,13,15)
InChIKeyCIAQMWOASPHRHD-UHFFFAOYSA-N
MW387.71 g/mol
LogP1.97
Rot. Bonds6

About N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide

N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115685407) has the molecular formula C10H12BrClN2O3S2 and a molecular weight of 387.71 g/mol. Its IUPAC name is N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide
PubChem CID115685407
Molecular FormulaC10H12BrClN2O3S2
Molecular Weight387.71 g/mol
Exact Mass385.92
IUPAC NameN-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)c1cc(Cl)c(Br)s1)C1CC1
InChIInChI=1S/C10H12BrClN2O3S2/c11-9-7(12)5-8(18-9)19(16,17)14-4-3-13-10(15)6-1-2-6/h5-6,14H,1-4H2,(H,13,15)
InChIKeyCIAQMWOASPHRHD-UHFFFAOYSA-N
XLogP1.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
CID 106846697
(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934085
5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
CID 80577895
5-bromo-4-chloro-N-pent-3-ynylthiophene-2-sulfonamide
CID 116645089
N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115572292
5-bromo-4-chloro-N-[(2-chlorocyclopentyl)methyl]thiophene-2-sulfonamide
CID 80578682
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 116530631
5-bromo-4-chloro-N-(2-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 80578058
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide (CID 115685407) is N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide is O=C(NCCNS(=O)(=O)c1cc(Cl)c(Br)s1)C1CC1.
What is the InChIKey of N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is CIAQMWOASPHRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O3S2/c11-9-7(12)5-8(18-9)19(16,17)14-4-3-13-10(15)6-1-2-6/h5-6,14H,1-4H2,(H,13,15).
What are the key properties of N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 387.71 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115685407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).