2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide

C10H11Cl2NO3S — CID 43560597

IUPAC2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCC2CC2)cc1Cl
InChIInChI=1S/C10H11Cl2NO3S/c11-7-4-10(17(13,14)15)8(12)3-9(7)16-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,13,14,15)
InChIKeyWSXXZSUCCNWHJO-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.43
Rot. Bonds4

About 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide

2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide (PubChem CID 43560597) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
PubChem CID43560597
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCC2CC2)cc1Cl
InChIInChI=1S/C10H11Cl2NO3S/c11-7-4-10(17(13,14)15)8(12)3-9(7)16-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,13,14,15)
InChIKeyWSXXZSUCCNWHJO-UHFFFAOYSA-N
XLogP2.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dichloro-4-methoxybenzene-1-sulfonyl chloride
CID 43134433
2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzene-1-sulfonamide
CID 10267972
2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide
CID 802891
2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide
CID 2966890
2,2,2-Trifluoroethyl 2,5-dichloro-4-methoxybenzenesulfonate
CID 53569281
2,5-Dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
CID 43134434
3-Chloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164463
2,3-Dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164586
2,5-Dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164615
2,5-Dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
2,5-Dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342563
2,5-Dichloro-4-[(2-fluorophenyl)methoxy]benzenesulfonamide
CID 43342572

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide (CID 43560597) is 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(OCC2CC2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide?
The InChIKey is WSXXZSUCCNWHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c11-7-4-10(17(13,14)15)8(12)3-9(7)16-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,13,14,15).
What are the key properties of 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide?
2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide has a molecular weight of 296.18 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide is sourced from PubChem (CID 43560597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).