N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide

C12H16ClNO2S2 — CID 47371964

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClNO2S2/c1-8(2)18(15,16)14-11-5-6-17-12-4-3-9(13)7-10(11)12/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyLCZGUDLUGVPSKE-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.20
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide (PubChem CID 47371964) has the molecular formula C12H16ClNO2S2 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
PubChem CID47371964
Molecular FormulaC12H16ClNO2S2
Molecular Weight305.85 g/mol
Exact Mass305.03
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClNO2S2/c1-8(2)18(15,16)14-11-5-6-17-12-4-3-9(13)7-10(11)12/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyLCZGUDLUGVPSKE-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide (CID 47371964) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide?
The InChIKey is LCZGUDLUGVPSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S2/c1-8(2)18(15,16)14-11-5-6-17-12-4-3-9(13)7-10(11)12/h3-4,7-8,11,14H,5-6H2,1-2H3.
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide has a molecular weight of 305.85 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 47371964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).