N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide

C10H16Cl2N2O2S2 — CID 43606292

IUPACN-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H16Cl2N2O2S2/c1-6(2)3-7(13)5-14-18(15,16)8-4-9(11)17-10(8)12/h4,6-7,14H,3,5,13H2,1-2H3
InChIKeyLWRSMFDRGAXSFW-UHFFFAOYSA-N
MW331.29 g/mol
LogP2.71
Rot. Bonds6

About N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide

N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 43606292) has the molecular formula C10H16Cl2N2O2S2 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID43606292
Molecular FormulaC10H16Cl2N2O2S2
Molecular Weight331.29 g/mol
Exact Mass330.00
IUPAC NameN-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H16Cl2N2O2S2/c1-6(2)3-7(13)5-14-18(15,16)8-4-9(11)17-10(8)12/h4,6-7,14H,3,5,13H2,1-2H3
InChIKeyLWRSMFDRGAXSFW-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 55365000
2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 61247523
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide
CID 43606378
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide
CID 64993790
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
CID 3871882

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide (CID 43606292) is N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide is CC(C)CC(N)CNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is LWRSMFDRGAXSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2O2S2/c1-6(2)3-7(13)5-14-18(15,16)8-4-9(11)17-10(8)12/h4,6-7,14H,3,5,13H2,1-2H3.
What are the key properties of N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 331.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 43606292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).