3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide

C12H16ClNO2S — CID 43654045

IUPAC3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C12H16ClNO2S/c13-7-2-8-17(15,16)14-12-6-5-10-3-1-4-11(10)9-12/h5-6,9,14H,1-4,7-8H2
InChIKeyBULUGEQXRPCNPF-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.55
Rot. Bonds5

About 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide

3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide (PubChem CID 43654045) has the molecular formula C12H16ClNO2S and a molecular weight of 273.79 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide
PubChem CID43654045
Molecular FormulaC12H16ClNO2S
Molecular Weight273.79 g/mol
Exact Mass273.06
IUPAC Name3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C12H16ClNO2S/c13-7-2-8-17(15,16)14-12-6-5-10-3-1-4-11(10)9-12/h5-6,9,14H,1-4,7-8H2
InChIKeyBULUGEQXRPCNPF-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
CID 6457501
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
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5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
CID 62229484
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-1-sulfonamide
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3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide
CID 107651248
3-chloro-N-(1H-indazol-6-yl)propane-1-sulfonamide
CID 30772848
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
4-chloro-N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
CID 116816251
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
CID 54877723

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide (CID 43654045) is 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide is O=S(=O)(CCCCl)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide?
The InChIKey is BULUGEQXRPCNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-7-2-8-17(15,16)14-12-6-5-10-3-1-4-11(10)9-12/h5-6,9,14H,1-4,7-8H2.
What are the key properties of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide?
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide has a molecular weight of 273.79 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 43654045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).